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FDA-ZINC01530613

 MMsINC code: MMs01725494
Type: Ionized
Formula: C19H36NO2+
SMILES:   O(C(=O)C1(CCCCC1)C1CCCCC1)CC[NH+](CC)CC
InChI:   InChI=1/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3/p+1

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Drug Similarity  
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Potential Energy
Epot(MMFF94)=33.014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.502 g/mol  logS: -5.05698  SlogP: 2.9851  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.209708  Sterimol/B1: 3.16032  Sterimol/B2: 4.82572  Sterimol/B3: 5.27553
  Sterimol/B4: 5.88383  Sterimol/L: 13.2502 
 
 Surface and Volume Properties
  Accessible surface: 556.473  Positive charged surface: 454.985  Negative charged surface: 101.488  Volume: 351.375
  Hydrophobic surface: 485.065  Hydrophilic surface: 71.408
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Parent related molecule:


MMs01725493
FDA-ZINC01530613